Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3701192 | 1.00 | ESR2 (0.46) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL3696692 | 1.00 | ESR2 (0.46) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL3663084 | 0.90 | ESR2 (0.46) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL250838 | 0.89 | ESR2 (0.58) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL5830154 | 0.88 | CYP19A1 (0.45) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| Ethylene SCHEMBL8882388 | 0.86 | ESR2 (0.55) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL9291508 | 0.84 | ESR2 (0.53) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 | |
| SCHEMBL11823167 | 0.81 | MAPT (0.57) | CYP19A1CYP11B1CYP11B2KCNH2GRIA1 | |
| SCHEMBL12227465 | 0.79 | ESR2 (0.43) | ESR2PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5958188 | 0.76 | GRIA1 (0.49) | ESR2CYP19A1CYP11B1CYP11B2KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100234409-A1 | Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2010-09-16 | — | — | US | disclosed |
| US-20100234409-A1 | Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2010-09-16 | — | — | US | disclosed |
| US-20090105315-A1 | PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS S1P RECEPTOR AGONISTS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2009-04-23 | — | — | US | disclosed |
| US-20090105315-A1 | PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS S1P RECEPTOR AGONISTS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION | 2009-04-23 | — | — | US | disclosed |
| EP-1991535-A1 | PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS SIP RECEPTOR AGONISTS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2008-11-19 | — | — | EP | disclosed |
| WO-2007098474-A1 | PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS S1P RECEPTOR AGONISTS | UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) | 2007-08-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100234409-A1 | Amino cyclopentyl heterocyclic and carbocyclic modulators of chemokine receptor activity | CXCR3, CXCR1, CCR2 | ESR2 349/4885CYP19A1 598/4885CYP11B1 613/4885 |
| US-20090105315-A1 | PHENYL-CYCLOALKYL AND PHENYL-HETEROCYCLIC DERIVATIVES AS S1P RECEPTOR AGONISTS | S1PR1, S1PR3, S1PR4 | ESR2 943/4885CYP19A1 4260/4885CYP11B1 2078/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.